N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine

C21H32N6 — CID 67719898

IUPACN-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
SMILESCN1CCN(c2nc(NCC3CCC(CN)CC3)nc3ccccc23)CC1
InChIInChI=1S/C21H32N6/c1-26-10-12-27(13-11-26)20-18-4-2-3-5-19(18)24-21(25-20)23-15-17-8-6-16(14-22)7-9-17/h2-5,16-17H,6-15,22H2,1H3,(H,23,24,25)
InChIKeyAIYLGJPTLHLELX-UHFFFAOYSA-N
MW368.53 g/mol
LogP2.56
Rot. Bonds5

About N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine

N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine (PubChem CID 67719898) has the molecular formula C21H32N6 and a molecular weight of 368.53 g/mol. Its IUPAC name is N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
PubChem CID67719898
Molecular FormulaC21H32N6
Molecular Weight368.53 g/mol
Exact Mass368.27
IUPAC NameN-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine
SMILESCN1CCN(c2nc(NCC3CCC(CN)CC3)nc3ccccc23)CC1
InChIInChI=1S/C21H32N6/c1-26-10-12-27(13-11-26)20-18-4-2-3-5-19(18)24-21(25-20)23-15-17-8-6-16(14-22)7-9-17/h2-5,16-17H,6-15,22H2,1H3,(H,23,24,25)
InChIKeyAIYLGJPTLHLELX-UHFFFAOYSA-N
XLogP2.56
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.53
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Quipazine
CID 5011
Spautin-1
CID 51037431
2,4-Diaminoquinazoline
CID 65087
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
Revaprazan
CID 204104
(6,7-Difluoro-quinazolin-4-YL)-(1-methyl-2,2-diphenyl-ethyl)-amine
CID 5496989
N-Methylquipazine
CID 5013
N-Benzylquinazolin-4-amine
CID 616573
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555

Frequently Asked Questions

What is the IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine?
The IUPAC name of N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine (CID 67719898) is N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine.
What is the SMILES notation for N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine?
The canonical SMILES for N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine is CN1CCN(c2nc(NCC3CCC(CN)CC3)nc3ccccc23)CC1.
What is the InChIKey of N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine?
The InChIKey is AIYLGJPTLHLELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6/c1-26-10-12-27(13-11-26)20-18-4-2-3-5-19(18)24-21(25-20)23-15-17-8-6-16(14-22)7-9-17/h2-5,16-17H,6-15,22H2,1H3,(H,23,24,25).
What are the key properties of N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine?
N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine has a molecular weight of 368.53 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(aminomethyl)cyclohexyl]methyl]-4-(4-methylpiperazin-1-yl)quinazolin-2-amine is sourced from PubChem (CID 67719898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).